178396-45-7
H-D-TRP-D-MET-P-CHLORO-D-PHE-GLA-NH2
NameH-D-TRP-D-MET-P-CHLORO-D-PHE-GLA-NH2
FormulaC31 H37 Cl N6 O8 S
1Identification
【Name】
H-D-TRP-D-MET-P-CHLORO-D-PHE-GLA-NH2
【CAS】
【MDL】
MFCD01318895
【English Synonyms】
【Formula】
C31 H37 Cl N6 O8 S
【MolWeight】
689.186
【Inchi】
InChI=1S/C31H37ClN6O8S/c1-47-11-10-23(36-27(40)21(33)13-17-15-35-22-5-3-2-4-19(17)22)28(41)38-25(12-16-6-8-18(32)9-7-16)29(42)37-24(26(34)39)14-20(30(43)44)31(45)46/h2-9,15,20-21,23-25,35H,10-14,33H2,1H3,(H2,34,39)(H,36,40)(H,37,42)(H,38,41)(H,43,44)(H,45,46)/t21-,23-,24+,25-/m1/s1
【InChIKey】
InChIKey=LGMMDAPIRCSNCB-MJTJJFPGSA-N
【SMILES】
CSCC[C@H](C(=O)N[C@H](Cc1ccc(cc1)Cl)C(=O)N[C@@H](CC(C(=O)O)C(=O)O)C(=O)N)NC(=O)[C@@H](Cc2c[nH]c3c2cccc3)N
【MOL File】
H-D-TRP-D-MET-P-CHLO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:8
H bond acceptor:14
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
H-D-TRP-D-MET-P-CHLORO-D-PHE-GLA-NH2.cml